Information card for entry 4131202

Structure parameters

• Formula: C42 H60 Cs F N10 O2
• Calculated formula: C42 H60 Cs F N10 O2
• Title of publication: Transmembrane Fluoride Transport: Direct Measurement and Selectivity Studies.
• Authors of publication: Clarke, Harriet J.; Howe, Ethan N. W.; Wu, Xin; Sommer, Fabian; Yano, Masafumi; Light, Mark E.; Kubik, Stefan; Gale, Philip A.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 50
• Pages of publication: 16515 - 16522
• a: 11.5405 ± 0.0003 Å
• b: 20.3342 ± 0.0004 Å
• c: 20.4173 ± 0.0005 Å
• α: 117.361 ± 0.002°
• β: 97.175 ± 0.002°
• γ: 90.5504 ± 0.0018°
• Cell volume: 4209.71 ± 0.19 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0697
• Residual factor for significantly intense reflections: 0.0532
• Weighted residual factors for significantly intense reflections: 0.1229
• Weighted residual factors for all reflections included in the refinement: 0.1312
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No